| General Property |
| Molceule ID (DB) | EGIN0003551 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 20 (AG596) |
| IUPAC Name | (2E)-2-cyano-N-[3-(4-{3-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]propyl}piperazin-1-yl)propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C30H34N6O6 |
| Mass | 574.6276 |
| Exact Mass | 574.2539829 |
| Composition | C (62.71%), H (5.96%), N (14.63%), O (16.71%) |
| Atom Count | 76 |
| PI | 7.86 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)NCCCN1CCN(CC1)CCCNC(=O)/C(=C/c1cc(c(cc1)O)O)/C#N)C#N |
| InChI | 1S/C30H34N6O6/c31-19-23(15-21-3-5-25(37)27(39)17-21)29(41)33-7-1-9-35-11-13-36(14-12-35)10-2-8-34-30
(42)24(20-32)16-22-4-6-26(38)28(40)18-22/h3-6,15-18,37-40H,1-2,7-14H2,(H,33,41)(H,34,42)/b23-15+,24-
16+ |
| InChIKey | DSMTTZLNZMHMFT-DFEHQXHXSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 8960549 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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|
| Drug Bank Link | - |
| ChemSpider Link | 8730540 |
| ChEMBL Link | CHEMBL144402 |
